[2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[2-(3-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC(=O)NCCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC(=O)NCCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H17ClN2O4/c21-15-6-3-4-13(10-15)8-9-22-18(24)12-27-20(26)17-11-14-5-1-2-7-16(14)19(25)23-17/h1-7,10-11H,8-9,12H2,(H,22,24)(H,23,25)